CECAM Flagship Workshop on Machine Learning Potentials: From Interfaces to Solution at RUB in August 2024.
Chemistry World feature by Philip Ball, in which our recent findings concerning the crucial role of solvation-water release in the formation of biomolecular condensates of intrinsically disordered proteins are discussed.
Dario De Vecchis won the Lecture Award at the 9th FEBS Special Meeting ATP-Binding Cassette Proteins: From Multidrug Resistance to Genetic Diseases 2023
We investigate link between structure, dynamics, and function of biomolecules by means of computer simulations. To that end, we develop and apply efficient computational methods to study biomolecular systems at the atomic level, mostly using molecular dynamics (MD) simulations.
The Molecular Simulation group at RUB.